Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride
TL;DR: Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride (CAS 755040-97-2) is a chemical compound with molecular formula C18H24Cl2N4O2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline;dihydrochloride
Also Known As: Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride, Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, hydrochloride (1:2), 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline;dihydrochloride, 1-benzyl-4-((2-nitro-4-methyl-5-amino)-phenyl)-piperazine, 2-methyl-4-nitro-5-(4-(phenylmethyl)piperazin-1-yl)aniline
| Molecular Formula | C18H24Cl2N4O2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.65122 |
| Topological Polar Surface Area | 75.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.12762 |
| Heavy Atoms | 26 |
| Complexity | 735.471 |
Chemical Identifiers
| CAS Number | 755040-97-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-].Cl.Cl |
Product Overview
Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride (CAS 755040-97-2), with molecular formula C18H24Cl2N4O2 and molecular weight 398.13 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitroaniline;dihydrochloride.
Chemical Property Profile of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride
Property Insights of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride
The XLogP value of 3.65122 indicates that Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride. Following Lipinski's Rule of Five, Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride?
The CAS number of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride is 755040-97-2.
What is the molecular formula of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride?
The molecular formula of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride is C18H24Cl2N4O2.
What is the molecular weight of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride?
The molecular weight of Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride is 398.13 g/mol.
Where can I buy Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride?
You can request a quote for Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-methyl-4-nitro-5-(4-(phenylmethyl)-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.